[(2R)-3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]-cyclohexyl-methyl-azanium

Systemtic Name: [(2R)-3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]-cyclohexyl-methyl-azanium Openeye Name: [(2R)-3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: [(2R)-3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-cyclohexyl-methylammonium IUPAC Name: [(2R)-3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-cyclohexyl-methylazanium Traditional Name: [(2R)-3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C26H40NO2+ MolecularWeight: 398.6013

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)O)C5CCCCC5

Isomeric SMILES

C[NH+](C[C@H](COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)O)C5CCCCC5

InChI

InChI=1S/C26H39NO2/c1-27(23-5-3-2-4-6-23)17-24(28)18-29-25-9-7-22(8-10-25)26-14-19-11-20(15-26)13-21(12-19)16-26/h7-10,19-21,23-24,28H,2-6,11-18H2,1H3/p+1/t19?,20?,21?,24-,26?/m1/s1